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Carbon and silicon triangulenes: searching for molecular magnets

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Abstract

The structures of a number of neutral high-spin, triangular carbon and silicon systems were studied and their stabilities were predicted using the density functional theory methods (B3LYP functional with the 6-311++G** and 6-311+G** basis sets). The calculated spin-spin coupling constants have high positive values, thus indicating strong ferromagnetic interactions in the title systems.

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Authors and Affiliations

  1. Institute of Physical and Organic Chemistry at Southern Federal University, 194/2 prosp. Stachki, 344090, Rostov-on-Don, Russian Federation

    O. A. Gapurenko, R. M. Minyaev & V. I. Minkin

  2. Southern Scientific Center, Russian Academy of Sciences, 41 ul. Chekhova, 344006, Rostov-on-Don, Russian Federation

    A. G. Starikov

Authors
  1. O. A. Gapurenko
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  2. A. G. Starikov
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  3. R. M. Minyaev
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  4. V. I. Minkin
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Correspondence to R. M. Minyaev.

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Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, 1493–1500, August, 2011.

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Gapurenko, O.A., Starikov, A.G., Minyaev, R.M. et al. Carbon and silicon triangulenes: searching for molecular magnets. Russ Chem Bull 60, 1517–1524 (2011). https://doi.org/10.1007/s11172-011-0226-4

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  • DOI: https://doi.org/10.1007/s11172-011-0226-4

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